| SpectraBase Compound ID | KkTwAGB6sYD |
|---|---|
| InChI | InChI=1S/C16H12Cl2O4/c1-2-21-15(19)10-5-3-6-11(9-10)16(20)22-14-12(17)7-4-8-13(14)18/h3-9H,2H2,1H3 |
| InChIKey | ZAFPHHSXVIVZJU-UHFFFAOYSA-N |
| Mol Weight | 339.17 g/mol |
| Molecular Formula | C16H12Cl2O4 |
| Exact Mass | 338.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BrG7AcvW4P |
|---|---|
| Name | Isophthalic acid, 2,6-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.011264262 u |
| Formula | C16H12Cl2O4 |
| InChI | InChI=1S/C16H12Cl2O4/c1-2-21-15(19)10-5-3-6-11(9-10)16(20)22-14-12(17)7-4-8-13(14)18/h3-9H,2H2,1H3 |
| InChIKey | ZAFPHHSXVIVZJU-UHFFFAOYSA-N |
| Molecular Weight | 339.174 g/mol |
| SMILES | C1(=C(C(=CC=C1)Cl)OC(C1=CC(C(OCC)=O)=CC=C1)=O)Cl |